3-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
CAS Registry Number®
79-89-0
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CAS Name
3-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-oneMolecular Formula
C14H22OMolecular Mass
206.32Cite this Page
3-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=79-89-0 (retrieved ) (CAS RN: 79-89-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
124-125 °C @ Press: 9 TorrDensity (2)
0.9355 g/cm³ @ Temp: 20 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h9H,6-8H2,1-5H3
InChIKey
InChIKey=NSSHGPBKKVJJMM-UHFFFAOYSA-N
SMILES
C(=C(C(C)=O)C)C=1C(C)(C)CCCC1C
Canonical SMILES
O=C(C(=CC1=C(C)CCCC1(C)C)C)C
Other Names for this Substance
- 3-Buten-2-one, 3-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
- 3-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
- δ-Iraldeine
- Isomethyl-β-ionone
- NSC 66433
